相关论文: Project For Advancement of Software Usability in M…
A large number of computational scientific research projects make use of open source software packages. However, the development process of such tools frequently differs from conventional software development; partly because of the nature…
This is position paper accepted to the Computational Science & Engineering Software Sustainability and Productivity Challenges (CSESSP Challenges) Workshop, sponsored by the Networking and Information Technology Research and Development…
Among the upgrades in current high energy physics (HEP) experiments and the new facilities coming online, solving software challenges has become integral for the success of the collaborations, The demand for human resources highly-skilled…
As data science and machine learning methods are taking on an increasingly important role in the materials research community, there is a need for the development of machine learning software tools that are easy to use (even for nonexperts…
Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…
Research software is essential to modern research, but it requires ongoing human effort to sustain: to continually adapt to changes in dependencies, to fix bugs, and to add new features. Software sustainability institutes, amongst others,…
Computational acceleration of performance-metric-based materials discovery via high-throughput screening and machine learning methods is becoming widespread. Nevertheless, development and optimization of the opto-electronic properties that…
Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the…
Many fields of science rely on software systems to answer different research questions. For valid results researchers need to trust the results scientific software produces, and consequently quality assurance is of utmost importance. In…
In this paper, we discuss the need for an integrated software stack that unites artificial intelligence (AI) and modeling and simulation (ModSim) tools to advance scientific discovery. The authors advocate for a unified AI/ModSim software…
Development of scientific and engineering software is usually different and could be more challenging than the development of conventional enterprise software. The authors were involved in a technology-transfer project between academia and…
The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…
Electronic structure simulation (ESS) has been used for decades to provide quantitative scientific insights on an atomistic scale, enabling advances in chemistry, biology, and materials science, among other disciplines. Following standard…
High-Performance Computing (HPC) platforms enable scientific software to achieve breakthroughs in many research fields such as physics, biology, and chemistry, by employing Research Software Engineering (RSE) techniques. These include 1)…
Twenty-five years ago the desktop computer started becoming ubiquitous in the scientific lab. Researchers were delighted with its ability to both control instrumentation and acquire data on a single system, but they were not completely…
This article summarizes motivations, organization, and activities of the Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE5.1) held in Manchester, UK in September 2017. The WSSSPE series promotes sustainable…
Challenges related to development, deployment, and maintenance of reusable software for science are becoming a growing concern. Many scientists' research increasingly depends on the quality and availability of software upon which their…
With the aim of finding ways that can lead to solving the problem of learning the exact sciences and involving the university student in a participatory and active way during the semester period with the help of new technologies, the…
We present the SLIM (https://github.com/slimgroup) open-source software framework for computational geophysics, and more generally, inverse problems based on the wave-equation (e.g., medical ultrasound). We developed a software environment…
Symbolic computation is the science of computing with symbolic objects (terms, formulae, programs, algebraic objects, geometrical objects, etc). Powerful symbolic algorithms have been developed during the past decades and have played an…